2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine

C25H21F3N2O — CID 158386173

IUPAC2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
SMILESCc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.Cc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C13H10F3NO.C12H11N/c1-9-2-3-11(8-17-9)10-4-6-12(7-5-10)18-13(14,15)16;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11/h2-8H,1H3;2-9H,1H3
InChIKeyGWKBACDVWMALTO-UHFFFAOYSA-N
MW422.45 g/mol
LogP7.01
Rot. Bonds3

About 2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine

2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 158386173) has the molecular formula C25H21F3N2O and a molecular weight of 422.45 g/mol. Its IUPAC name is 2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID158386173
Molecular FormulaC25H21F3N2O
Molecular Weight422.45 g/mol
Exact Mass422.16
IUPAC Name2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
SMILESCc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.Cc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C13H10F3NO.C12H11N/c1-9-2-3-11(8-17-9)10-4-6-12(7-5-10)18-13(14,15)16;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11/h2-8H,1H3;2-9H,1H3
InChIKeyGWKBACDVWMALTO-UHFFFAOYSA-N
XLogP7.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.45
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 118455092
2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 154074447
9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene
CID 170391358
2-(difluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 71302315
2,2-dimethyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one
CID 118431522
trifluoromethoxybenzene
CID 157402708
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
2-ethylsulfanyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 151802827
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
(4-phenylphenyl) 4-(trifluoromethoxy)benzoate
CID 7926515
4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 21025907
trifluoromethoxybenzene fluoride
CID 158305019

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine (CID 158386173) is 2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine is Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.Cc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is GWKBACDVWMALTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO.C12H11N/c1-9-2-3-11(8-17-9)10-4-6-12(7-5-10)18-13(14,15)16;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11/h2-8H,1H3;2-9H,1H3.
What are the key properties of 2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine?
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 422.45 g/mol, XLogP of 7.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 158386173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).